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- W2015925456 abstract "Using the Hellmann–Feynman and virial theorems, a simple method has been developed to correct the potential energy curve of molecules obtained by an approximate calculation. The method is applied to the potential energy curves of N2, O2, F2, and CO calculated by the multiple scattering SCF-Xα theory, as an illustration." @default.
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- W2015925456 date "1976-07-01" @default.
- W2015925456 modified "2023-10-16" @default.
- W2015925456 title "Hellmann–Feynman and virial theorems and the total energy of molecules" @default.
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- W2015925456 doi "https://doi.org/10.1063/1.432795" @default.
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